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Molecule
Silicic Acid (H4Sio4), Tris(1,1-Dimethylethyl) Ester
CAS: 18166-43-3 · C12H28O4Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18166-43-3
- Molecular Formula
- C12H28O4Si
- Molecular Mass
- 264.44 g/mol
Identifiers
CAS Registry Number
18166-43-3
SMILES
CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C
InChI Key
HLDBBQREZCVBMA-UHFFFAOYSA-N
InChI
InChI=1S/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3
Names and Synonyms
- Silicic Acid (H4Sio4), Tris(1,1-Dimethylethyl) Ester Synonym
- Silicic acid (H4SiO4), tris(1,1-dimethylethyl) ester Synonym
- Silicic acid (H4SiO4), tri-tert-butyl ester Synonym
- Tri-tert-butoxysilanol Synonym
- Tri-tert-butyl silicate Synonym
- Tri(tert-butyloxy)silanol Synonym
- NSC 243646 Synonym
- Tris(tert-butoxy)silanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.44 g/mol | CAS Common Chemistry |
| 264.438 g/mol | RDKit | |
| Canonical SMILES | O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLDBBQREZCVBMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-66 °C | CAS Common Chemistry |
| Name | Silicic acid (H4SiO4), tris(1,1-dimethylethyl) ester | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 2.8596000000000013 | RDKit |
| 2.8596 | RDKit | |
| Molar Refractivity | 70.48680000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 264.175685906 g/mol | RDKit |
| Boiling Point | 95 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 264.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H28O4Si.
